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  • Currently displaying 2201 - 2220 of 30916 publications
Author(s)
Publication title
Journal Name
Publication year
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States
L Cadi Tazi, AJW Thom
Journal of Chemical Theory and Computation
(2024)
20
Can $GW$ Handle Multireference Systems?
A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos
Journal of Chemical Physics
(2024)
Multicomponent Synthesis of α‑Branched Amines via a Zinc-Mediated Carbonyl Alkylative Amination Reaction
JM Phelps, R Kumar, JD Robinson, JCK Chu, NJ Flodén, S Beaton, MJ Gaunt
J Am Chem Soc
(2024)
146
Nanoparticle-Catalyzed Transamination under Tumor Microenvironment Conditions: A Novel Tool to Disrupt the Pool of Amino Acids and GSSG in Cancer Cells.
J Bonet-Aleta, JV Alegre-Requena, J Martin-Martin, M Encinas-Gimenez, A Martín-Pardillos, P Martin-Duque, JL Hueso, J Santamaria
Nano Lett
(2024)
24
Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms
S Kokott, F Merz, Y Yao, C Carbogno, M Rossi, V Havu, M Rampp, M Scheffler, V Blum
(2024)
CanGWhandle multireference systems?
A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos
J Chem Phys
(2024)
160
Palladium (II)-Catalyzed C-H Activation with Bifunctional Ligands: From Curiosity to Industrialization
K Wu, N Lam, DA Strassfeld, Z Fan, JX Qiao, T Liu, D Stamos, J-Q Yu
Angewandte Chemie International Edition
(2024)
63
Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes
SP Pineda, R Staňo, A Murmiliuk, PM Blanco, P Montes, Z Tošner, O Groborz, J Pánek, M Hrubý, M Štěpánek, P Košovan
JACS Au
(2024)
4
Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs.
H-H Cho, DG Congrave, AJ Gillett, S Montanaro, HE Francis, V Riesgo-Gonzalez, J Ye, R Chowdury, W Zeng, MK Etherington, J Royakkers, O Millington, AD Bond, F Plasser, JM Frost, CP Grey, A Rao, RH Friend, NC Greenham, H Bronstein
Nature materials
(2024)
23
Electrostatic [FeFe]-hydrogenase-carbon nitride assemblies for efficient solar hydrogen production
Y Liu, C Pulignani, S Webb, SJ Cobb, S Rodríguez-Jiménez, D Kim, RD Milton, E Reisner
Chemical Science
(2024)
15
Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration
MA Zabara, G Katırcı, FE Civan, A Yürüm, SA Gürsel, B Ülgüt
Electrochimica Acta
(2024)
485
Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression.
K Panchagnula, D Graf, FEA Albertani, AJW Thom
The Journal of Chemical Physics
(2024)
160
Computational Prediction of an Antimony-Based n‑Type Transparent Conducting Oxide: F‑Doped Sb2O5
K Li, J Willis, SR Kavanagh, DO Scanlon
Chemistry of Materials
(2024)
36
Estimating the causal effect of temperature on ozone air pollution
S Hickman, P Griffiths, P Nowack, A Archibald
(2024)
Ligand-Directed Self-Assembly of Organic-Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion
V Gray, DTW Toolan, S Dowland, JR Allardice, MP Weir, Z Zhang, J Xiao, A Klimash, JF Winkel, EK Holland, GM Fregoso, JE Anthony, H Bronstein, R Friend, AJ Ryan, RAL Jones, NC Greenham, A Rao
J Am Chem Soc
(2024)
146
Rationale for the extrapolation procedure in selected configuration interaction
HGA Burton, P-F Loos
Journal of Chemical Physics
(2024)
160
Cyclization-enhanced poly(β-amino ester)s vectors for efficient CRISPR gene editing therapy
X Wang, Y Li, S A, J Lyu, X Wang, Z He, I Lara-Sáez, M Li, W Wang
J Control Release
(2024)
368
Adaptive optical imaging with entangled photons
P Cameron, B Courme, C Vernière, R Pandya, D Faccio, H Defienne
Science (New York, N.Y.)
(2024)
383
A deep dive into the liquid droplet state of α-synuclein
ST Dada
(2024)
Understanding Biology in the Age of Artificial Intelligence
E Lawrence, A El-Shazly, S Seal, CK Joshi, P Liò, S Singh, A Bender, P Sormanni, M Greenig
(2024)